2-(azepan-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-yl)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(1-azepanyl)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-yl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-18-10-9-17(21-20(24)16-22-11-5-2-3-6-12-22)15-19(18)28(25,26)23-13-7-4-8-14-23/h9-10,15H,2-8,11-14,16H2,1H3,(H,21,24)